Theoretical study of electronic transport through P-porphyrin and S-porphyrin nanoribbons

Publication date: Available online 23 January 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Rajkumar Mondal, Barnali Bhattachrya, N. Bedamani Singh, Utpal SarkarAbstractElectronic transport through P-porphyrin and S-porphyrin nanoribbons have been studied by using nonequilibrium Green's function formalism (NEGF) combined with density functional theory (DFT) method. Band structure of both nanoribbons shows metallic behavior and bands near the Fermi level contain π character contributed by py orbital. Both nanoribbons exhibit metal-like conduction at extreme low bias. A remarkable negative differential resistance (NDR) effect is observed for both nanoribbons which is further explained with the evolution of transmission peak within energy bias window (EBW), and overlap of energy states of left and right electrodes. The low bias NDR phenomena of our proposed devices could be used in designing NDR devices including frequency multipliers, memory, and fast switches.Graphical abstract
Source: Journal of Molecular Graphics and Modelling - Category: Molecular Biology Source Type: research